[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride

C14H19ClF2N2O4 — CID 119403962

IUPAC[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C14H18F2N2O4.ClH/c1-20-10-7-9(13(19)18-5-3-17-4-6-18)8-11(21-2)12(10)22-14(15)16;/h7-8,14,17H,3-6H2,1-2H3;1H
InChIKeyLUAJTARASCKSHP-UHFFFAOYSA-N
MW352.77 g/mol
LogP1.77
Rot. Bonds5

About [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride

[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119403962) has the molecular formula C14H19ClF2N2O4 and a molecular weight of 352.77 g/mol. Its IUPAC name is [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119403962
Molecular FormulaC14H19ClF2N2O4
Molecular Weight352.77 g/mol
Exact Mass352.10
IUPAC Name[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCOc1cc(C(=O)N2CCNCC2)cc(OC)c1OC(F)F.Cl
InChIInChI=1S/C14H18F2N2O4.ClH/c1-20-10-7-9(13(19)18-5-3-17-4-6-18)8-11(21-2)12(10)22-14(15)16;/h7-8,14,17H,3-6H2,1-2H3;1H
InChIKeyLUAJTARASCKSHP-UHFFFAOYSA-N
XLogP1.77
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.77
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119564114
(3,5-dimethoxy-4-methylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403756
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401216
(3-bromo-4-ethoxy-5-methoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400084
(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403665
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978
1-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-5-one
CID 110727928
4-(difluoromethoxy)-3,5-dimethoxy-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826418
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
(4-aminopiperidin-1-yl)-[4-(difluoromethoxy)-3-methoxyphenyl]methanone;hydrochloride
CID 119376566
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride (CID 119403962) is [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride is COc1cc(C(=O)N2CCNCC2)cc(OC)c1OC(F)F.Cl.
What is the InChIKey of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is LUAJTARASCKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O4.ClH/c1-20-10-7-9(13(19)18-5-3-17-4-6-18)8-11(21-2)12(10)22-14(15)16;/h7-8,14,17H,3-6H2,1-2H3;1H.
What are the key properties of [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride?
[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 352.77 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)-3,5-dimethoxyphenyl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119403962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).